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Title: Materials Data on Sr(IO)2 by Materials Project

Abstract

Sr(OI)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to four O and three I atoms to form distorted edge-sharing SrI3O4 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.47–2.50 Å. There are a spread of Sr–I bond distances ranging from 3.35–3.51 Å. In the second Sr site, Sr is bonded in a 2-coordinate geometry to four O and five I atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.72 Å. There are a spread of Sr–I bond distances ranging from 3.40–4.02 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to four O and four I atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.70 Å. There are a spread of Sr–I bond distances ranging from 3.43–3.65 Å. In the fourth Sr site, Sr is bonded in a 4-coordinate geometry to four O and four I atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.52 Å. There are a spread of Sr–I bond distances ranging from 3.31–3.94 Å. There are eight inequivalent O sites. Inmore » the first O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Sr and one O atom. The O–O bond length is 1.40 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Sr and one O atom. The O–O bond length is 1.42 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. The O–O bond length is 1.37 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. In the sixth O site, O is bonded in a 4-coordinate geometry to two equivalent Sr, one O, and one I atom. The O–I bond length is 2.36 Å. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent Sr, one O, and one I atom. The O–I bond length is 2.34 Å. In the eighth O site, O is bonded in a distorted T-shaped geometry to two equivalent Sr and one O atom. There are eight inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to three Sr and one I atom. The I–I bond length is 3.34 Å. In the second I site, I is bonded in a distorted single-bond geometry to one Sr, one O, and one I atom. The I–I bond length is 3.17 Å. In the third I site, I is bonded in a distorted single-bond geometry to one Sr, one O, and one I atom. In the fourth I site, I is bonded in a 2-coordinate geometry to three Sr and one I atom. In the fifth I site, I is bonded in a distorted bent 120 degrees geometry to two Sr and one I atom. The I–I bond length is 3.29 Å. In the sixth I site, I is bonded in a 2-coordinate geometry to two Sr and one I atom. The I–I bond length is 3.29 Å. In the seventh I site, I is bonded in a 2-coordinate geometry to two Sr and one I atom. In the eighth I site, I is bonded in a distorted bent 120 degrees geometry to two Sr and one I atom.« less

Publication Date:
Other Number(s):
mp-1179388
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr(IO)2; I-O-Sr
OSTI Identifier:
1748955
DOI:
https://doi.org/10.17188/1748955

Citation Formats

The Materials Project. Materials Data on Sr(IO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748955.
The Materials Project. Materials Data on Sr(IO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748955
The Materials Project. 2020. "Materials Data on Sr(IO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748955. https://www.osti.gov/servlets/purl/1748955. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748955,
title = {Materials Data on Sr(IO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(OI)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to four O and three I atoms to form distorted edge-sharing SrI3O4 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.47–2.50 Å. There are a spread of Sr–I bond distances ranging from 3.35–3.51 Å. In the second Sr site, Sr is bonded in a 2-coordinate geometry to four O and five I atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.72 Å. There are a spread of Sr–I bond distances ranging from 3.40–4.02 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to four O and four I atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.70 Å. There are a spread of Sr–I bond distances ranging from 3.43–3.65 Å. In the fourth Sr site, Sr is bonded in a 4-coordinate geometry to four O and four I atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.52 Å. There are a spread of Sr–I bond distances ranging from 3.31–3.94 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Sr and one O atom. The O–O bond length is 1.40 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Sr and one O atom. The O–O bond length is 1.42 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. The O–O bond length is 1.37 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. In the sixth O site, O is bonded in a 4-coordinate geometry to two equivalent Sr, one O, and one I atom. The O–I bond length is 2.36 Å. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent Sr, one O, and one I atom. The O–I bond length is 2.34 Å. In the eighth O site, O is bonded in a distorted T-shaped geometry to two equivalent Sr and one O atom. There are eight inequivalent I sites. In the first I site, I is bonded in a 4-coordinate geometry to three Sr and one I atom. The I–I bond length is 3.34 Å. In the second I site, I is bonded in a distorted single-bond geometry to one Sr, one O, and one I atom. The I–I bond length is 3.17 Å. In the third I site, I is bonded in a distorted single-bond geometry to one Sr, one O, and one I atom. In the fourth I site, I is bonded in a 2-coordinate geometry to three Sr and one I atom. In the fifth I site, I is bonded in a distorted bent 120 degrees geometry to two Sr and one I atom. The I–I bond length is 3.29 Å. In the sixth I site, I is bonded in a 2-coordinate geometry to two Sr and one I atom. The I–I bond length is 3.29 Å. In the seventh I site, I is bonded in a 2-coordinate geometry to two Sr and one I atom. In the eighth I site, I is bonded in a distorted bent 120 degrees geometry to two Sr and one I atom.},
doi = {10.17188/1748955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}